| SpectraBase Compound ID | J0gUyk1y7xs |
|---|---|
| InChI | InChI=1S/C14H16F5NO3/c1-8(20-12(21)13(15,16)14(17,18)19)6-9-4-5-10(22-2)11(7-9)23-3/h4-5,7-8H,6H2,1-3H3,(H,20,21) |
| InChIKey | RNLRIESBRPBNOY-UHFFFAOYSA-N |
| Mol Weight | 341.28 g/mol |
| Molecular Formula | C14H16F5NO3 |
| Exact Mass | 341.105034 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CZIKElmAvB1 |
|---|---|
| Name | 3,4-Dimethoxyamphetamine, pentafluoropropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 341.105034191 u |
| Formula | C14H16F5NO3 |
| InChI | InChI=1S/C14H16F5NO3/c1-8(20-12(21)13(15,16)14(17,18)19)6-9-4-5-10(22-2)11(7-9)23-3/h4-5,7-8H,6H2,1-3H3,(H,20,21) |
| InChIKey | RNLRIESBRPBNOY-UHFFFAOYSA-N |
| Molecular Weight | 341.278 g/mol |
| SMILES | C1(=CC(=C(C=C1)OC)OC)CC(C)NC(C(C(F)(F)F)(F)F)=O |